SCOPUS 정보 검색 플랫폼

Journal of Physical Chemistry A

Volumn 106, Issue 48, 2002, Pages 11775-11781

A systematic study on the reactivity of Lewis acid-base complexes through the local hard-soft acid-base principle

(2) Chandrakumar, K R S a Pal, Sourav a

a NATIONAL CHEMICAL LABORATORY (India)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BINDING; ELECTRON TRANSFER PARAMETER; ELECTRONEGATIVITY EQUALIZATION; FUKUI FUNCTIONS; INTRAMOLECULAR REACTIVITY; LEWIS ACID - BASE COMPLEXES; SECOND ORDER DENSITY PERTURBATION THEORY;

ACIDS; CHARGE TRANSFER; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC DENSITY OF STATES; ELECTROSTATICS; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; QUANTUM THEORY;

REACTION KINETICS;

EID: 0037028198 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp026062o Document Type: Article

Times cited : (45)

References (105)

1
- 0012213185
- Theory of orientation and stereo selection
- Springer-Verlag: New York
- (a) Fukui, K. Theory of orientation and stereo selection; Springer-Verlag: New York, 1975.
- (1975)
- Fukui, K.¹

2
- 0002313438
- (b) Fukui, K. Acc. Chem. Res. 1971, 4, 57.
- (1971) Acc. Chem. Res. , vol.4 , pp. 57
- Fukui, K.¹

3
- 0346948866
- Fukui, K. Science, 1982, 218, 747.
- (1982) Science , vol.218 , pp. 747
- Fukui, K.¹

4
- 4243585088
- Klopman, G. J. Am. Chem. Soc. 1968, 90, 223.
- (1968) J. Am. Chem. Soc. , vol.90 , pp. 223
- Klopman, G.¹

5
- 0003569570
- Oxford University Press: New York
- Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules; Oxford University Press: New York. 1989.
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

6
- 0345114077
- (a) Pearson, R. G. J. Am. Chem. Soc. 1963, 85, 3533.
- (1963) J. Am. Chem. Soc. , vol.85 , pp. 3533
- Pearson, R.G.¹

7
- 0347291894
- (b) Parr, R. G.; Pearson, R. G. J. Am. Chem. Soc. 1983, 105, 7512.
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 7512
- Parr, R.G.¹ Pearson, R.G.²

8
- 36749117171
- (c) Parr, R. G.; Donnelly, R. A.; Levy, M.; Palke, W. E. J. Chem. Phys. 1978, 68, 3801.
- (1978) J. Chem. Phys. , vol.68 , pp. 3801
- Parr, R.G.¹ Donnelly, R.A.² Levy, M.³ Palke, W.E.⁴

9
- 33845377130
- (d) Pearson, R. G. J. Am. Chem. Soc. 1985, 107, 6801.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 6801
- Pearson, R.G.¹

10
- 0003428857
- Sen. K. D., Ed.: Springer-Verlag: Berlin
- (e) Chemical Hardness Structure and Bonding: Sen. K. D., Ed.: Springer-Verlag: Berlin. 1993; Vol. 80.
- (1993) Chemical Hardness Structure and Bonding: , vol.80

11
- 0042534101
- (a) Parr, R. G.; Yang, W. J. Am. Chem. Soc. 1984, 106. 4049.
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 4049
- Parr, R.G.¹ Yang, W.²

12
- 33846068795
- (b) Yang, Y.; Parr, R. G. Proc. Natl. Acad. Sci. U.S.A. 1985. 821, 6723.
- (1985) Proc. Natl. Acad. Sci. U.S.A. , vol.821 , pp. 6723
- Yang, Y.¹ Parr, R.G.²

13
- 33845378183
- (c) Berkowitz, M.; Ghosh, S. K.; Parr, R. G. J. Am. Chem. Soc. 1985, 107. 6811.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 6811
- Berkowitz, M.¹ Ghosh, S.K.² Parr, R.G.³

14
- 16244381588
- (d) Berkowitz, M.; Parr, R. G.; J. Chem. Phys. 1988, 88, 2554.
- (1988) J. Chem. Phys. , vol.88 , pp. 2554
- Berkowitz, M.¹ Parr, R.G.²

15
- 0034423181
- (e) Ayers, P. W.; Levy, M. Theor. Chem. Acc. 2000, 103, 353.
- (2000) Theor. Chem. Acc. , vol.103 , pp. 353
- Ayers, P.W.¹ Levy, M.²

16
- 0034620741
- (f) Ayers, P. W.; Parr, R. G. J. Am. Chem. Soc., 2000, 122, 2010.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 2010
- Ayers, P.W.¹ Parr, R.G.²

17
- 33845375966
- Yang, W.; Mortier, W. J. J. Am. Chem. Soc. 1986, 108, 5708.
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 5708
- Yang, W.¹ Mortier, W.J.²

18
- 0001618667
- Li, Y.; Evans, J. N. S. J. Am. Chem. Soc. 1995, 117, 7756.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 7756
- Li, Y.¹ Evans, J.N.S.²

19
- 0001172180
- Berkowitz, M. J. Am. Chem. Soc. 1987, 109. 4823.
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 4823
- Berkowitz, M.¹

20
- 33751158806
- (a) De Proft, F.; Amira, S.; Choho, K.; Geerlings, P. J. Phys. Chem. 1994, 98. 5227.
- (1994) J. Phys. Chem. , vol.98 , pp. 5227
- De Proft, F.¹ Amira, S.² Choho, K.³ Geerlings, P.⁴

21
- 6144255611
- (b) Langenaeker, W.; De Decker, M.; Geerlings, P.; Raeymaekers, P. J. Mol. Struct. (THEOCHEM) 1994, 207. 115.
- (1994) J. Mol. Struct. (THEOCHEM) , vol.207 , pp. 115
- Langenaeker, W.¹ De Decker, M.² Geerlings, P.³ Raeymaekers, P.⁴

22
- 0001607783
- (c) Langenaeker, W.; Coussement, N.; De Proft, F.; Geerlings, P. J. Phys. Chem. 1994, 98, 3010.
- (1994) J. Phys. Chem. , vol.98 , pp. 3010
- Langenaeker, W.¹ Coussement, N.² De Proft, F.³ Geerlings, P.⁴

23
- 0030837872
- (d) Damoun, S.; Van de Woude, Mendez, F.; Geerlings, P. J. Phys. Chem. A 1997, 101, 886.
- (1997) J. Phys. Chem. A , vol.101 , pp. 886
- Damoun, S.¹ Van De Woude, M.F.² Geerlings, P.³

24
- 0035969757
- (e) Chatterjee, A.; Ebina, T.; Iwasaki, T. J. Phys. Chem. A 2001, 105, 10694.
- (2001) J. Phys. Chem. A , vol.105 , pp. 10694
- Chatterjee, A.¹ Ebina, T.² Iwasaki, T.³

25
- 0035963804
- (f) Chatterjee, A.; Iwasaki, T. J. Phys. Chem. A 2001, 105, 6187.
- (2001) J. Phys. Chem. A , vol.105 , pp. 6187
- Chatterjee, A.¹ Iwasaki, T.²

26
- 0001096880
- (g) Chatterjee, A.; Ebina, T.; Iwasaki, T. J. Phys. Chem. A 1999, 103, 2489.
- (1999) J. Phys. Chem. A , vol.103 , pp. 2489
- Chatterjee, A.¹ Ebina, T.² Iwasaki, T.³

27
- 0001288871
- Roy, R. K.; Krishnamurthy, S.; Geerlings, P.; Pal, S. J. Phys. Chem. A 1998. 102, 3746.
- (1998) J. Phys. Chem. A , vol.102 , pp. 3746
- Roy, R.K.¹ Krishnamurthy, S.² Geerlings, P.³ Pal, S.⁴

28
- 0345114077
- (a) Pearson, R. G. J. Am. Chem. Soc. 1963, 85, 3533.
- (1963) J. Am. Chem. Soc. , vol.85 , pp. 3533
- Pearson, R.G.¹

29
- 1842691295
- (b) Pearson, R. G. J. Chem. Educ. 1987, 64, 561.
- (1987) J. Chem. Educ. , vol.64 , pp. 561
- Pearson, R.G.¹

30
- 0342996701
- (c) Pearson, R. G. Science 1966, 151, 172
- (1966) Science , vol.151 , pp. 172
- Pearson, R.G.¹

31
- 0003011040
- (d) Pearson, R. G. Inorg. Chem. Acta 1995, 240. 93.
- (1995) Inorg. Chem. Acta , vol.240 , pp. 93
- Pearson, R.G.¹

32
- 0000080818
- (a) Chattaraj, P. K.; Lee, H.; Parr, R. G. J. Am. Chem. Soc. 1991. 113, 1855.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 1855
- Chattaraj, P.K.¹ Lee, H.² Parr, R.G.³

33
- 0000546422
- (b) Chattaraj, P. K.; Schleyer, P. V. R. J. Am. Chem. Soc. 1994. 116, 1067.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 1067
- Chattaraj, P.K.¹ Schleyer, P.V.R.²

34
- 84961980889
- (c) Chattaraj, P. K.; Gomez, B.; Chamorro, E.; Santos, J.; Fuentealba, P. J. Phys. Chem. A 2001. 105, 8815.
- (2001) J. Phys. Chem. A , vol.105 , pp. 8815
- Chattaraj, P.K.¹ Gomez, B.² Chamorro, E.³ Santos, J.⁴ Fuentealba, P.⁵

35
- 0021373816
- Nalewjski, R. F. J. Am. Chem. Soc. 1984. 106, 944.
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 944
- Nalewjski, R.F.¹

36
- 0000693876
- (a) Mendez, F.; Gazquez, J. L. J. Am. Chem. Soc. 1994, 116, 9298.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 9298
- Mendez, F.¹ Gazquez, J.L.²

37
- 24544461814
- (b) Gazquez, J. L.; Mendez, F. J. Phys. Chem. 1994, 98, 4591.
- (1994) J. Phys. Chem. , vol.98 , pp. 4591
- Gazquez, J.L.¹ Mendez, F.²

38
- 84961980889
- Chattaraj, P. K. J. Phys. Chem. A 2001, 105, 8815.
- (2001) J. Phys. Chem. A , vol.105 , pp. 8815
- Chattaraj, P.K.¹

39
- 0003103768
- (a) Drago, R. S. Struct. Bonding 1973. 15, 73.
- (1973) Struct. Bonding , vol.15 , pp. 73
- Drago, R.S.¹

40
- 0012213190
- (b) Drago, R. S.; Kabler, R. A. Inorg. Chem. 1972, 11, 3144.
- (1972) Inorg. Chem. , vol.11 , pp. 3144
- Drago, R.S.¹ Kabler, R.A.²

41
- 0012210547
- (c) Drago, R. S. Inorg. Chem. 1973, 12, 21.
- (1973) Inorg. Chem. , vol.12 , pp. 21
- Drago, R.S.¹

42
- 0035957798
- (d) Shoeib, T.; Gorelsky, S. I.; Lever, A. B. P.; Siu, K. W. M. Hopkinson, A. C. Inorg. Chim. Acta 2001, 315. 236.
- (2001) Inorg. Chim. Acta , vol.315 , pp. 236
- Shoeib, T.¹ Gorelsky, S.I.² Lever, A.B.P.³ Siu, K.W.M.⁴ Hopkinson, A.C.⁵

43
- 0000010511
- (a) Jonas, V.; Frenking, G.; Reetz, M. T. J. Am. Chem. Soc. 1994, 116, 8741.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 8741
- Jonas, V.¹ Frenking, G.² Reetz, M.T.³

44
- 0000492996
- (b) Skancke, A.; Skancke, P. N. J. Phys. Chem. 1996, 100. 15079.
- (1996) J. Phys. Chem. , vol.100 , pp. 15079
- Skancke, A.¹ Skancke, P.N.²

45
- 0000786442
- (c) Anane, H.; Boutalib, A.; Nebot-Gil I.; Tomas, F. J. Phys. Chem. A 1998. 102. 7070.
- (1998) J. Phys. Chem. A , vol.102 , pp. 7070
- Anane, H.¹ Boutalib, A.² Nebot-Gil, I.³ Tomas, F.⁴

46
- 0032495938
- (d) Anane, H.; Boutalib, A.; Nebot-Gil I.; Tomas, F. Chem. Phys. Lett., 1998, 287, 575.
- (1998) Chem. Phys. Lett. , vol.287 , pp. 575
- Anane, H.¹ Boutalib, A.² Nebot-Gil, I.³ Tomas, F.⁴

47
- 0000789886
- Theory of chemical reactivity
- Nalewajski. R.F., Ed.: Springer-Verlag: Berlin
- (a) Cohen, M. H. Theory of Chemical Reactivity. Topics in Current Chemistry: Nalewajski. R.F., Ed.: Springer-Verlag: Berlin. 1996: Vol. 183. p 143.
- (1996) Topics in Current Chemistry: , vol.183 , pp. 143
- Cohen, M.H.¹

48
- 0001525541
- (b) Cohen, M. H.; Ganduglia-Pirovano, M. V.; Kudrnosky, J. J. Chem. Phys. 1995. 103. 3543.
- (1995) J. Chem. Phys. , vol.103 , pp. 3543
- Cohen, M.H.¹ Ganduglia-Pirovano, M.V.² Kudrnosky, J.³

49
- 36449002885
- (c) Cohen, M. H.; Ganduglia-Pirovano, M. V.; Kudrnosky, J. J. Chem. Phys. 1994, 101, 8988.
- (1994) J. Chem. Phys. , vol.101 , pp. 8988
- Cohen, M.H.¹ Ganduglia-Pirovano, M.V.² Kudrnosky, J.³

50
- 0035353487
- De Proft, F.; Geerlings, P. Chem. Rev., 2001, 101, 1451.
- (2001) Chem. Rev. , vol.101 , pp. 1451
- De Proft, F.¹ Geerlings, P.²

51
- 77956823934
- (a) Geerlings, P.; De Proft, F.; Langenaeker, W. Adv. Quantum Chem. 1999, 33. 303.
- (1999) Adv. Quantum Chem. , vol.33 , pp. 303
- Geerlings, P.¹ De Proft, F.² Langenaeker, W.³

52
- 0000039474
- (b) Chandra, A. K.; Nguyen, M. T. J. Phys. Chem. A 1998, 102. 6181.
- (1998) J. Phys. Chem. A , vol.102 , pp. 6181
- Chandra, A.K.¹ Nguyen, M.T.²

53
- 0000004720
- (c) Chandra, A. K.; Nguyen, M. T. J. Chem. Soc., Perkin. Trans. 2 1997, 1415.
- (1997) J. Chem. Soc., Perkin. Trans. 2 , pp. 1415
- Chandra, A.K.¹ Nguyen, M.T.²

54
- 0001108887
- (d) Chandra, A. K.; Geerlings, P.; Nguyen, M. T. J. Org. Chem. 1997. 62, 6417.
- (1997) J. Org. Chem. , vol.62 , pp. 6417
- Chandra, A.K.¹ Geerlings, P.² Nguyen, M.T.³

55
- 0035936770
- (a) Herrera, R.; Nagarajan, A.; Morales, M. A.; Mendez, F.; Jimenez-Vazquez, H. A.; Zepeda, L. G.; Tamariz, J. J. Org. Chem. 2001. 66, 1252.
- (2001) J. Org. Chem. , vol.66 , pp. 1252
- Herrera, R.¹ Nagarajan, A.² Morales, M.A.³ Mendez, F.⁴ Jimenez-Vazquez, H.A.⁵ Zepeda, L.G.⁶ Tamariz, J.⁷

56
- 0034299220
- (b) Ponti, A. J. Phys. Chem. A 2000, 104, 8843.
- (2000) J. Phys. Chem. A , vol.104 , pp. 8843
- Ponti, A.¹

57
- 0040942563
- Parr, R. G.; Szentpaly, L. V.; Liu, S. J. Am. Chem. Soc. 1999, 121, 1922.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 1922
- Parr, R.G.¹ Szentpaly, L.V.² Liu, S.³

58
- 3342943865
- (a) Parr, R. G.; Chattaraj, P. K. J. Am. Chem. Soc. 1991, 113. 1854.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 1854
- Parr, R.G.¹ Chattaraj, P.K.²

59
- 0001758790
- (b) Pearson, R. G.; Palke, W. E. J. Phys. Chem. 1992. 96, 3283.
- (1992) J. Phys. Chem. , vol.96 , pp. 3283
- Pearson, R.G.¹ Palke, W.E.²

60
- 0001081184
- (c) Datta, D. J. Phys. Chem. 1992. 96, 2409.
- (1992) J. Phys. Chem. , vol.96 , pp. 2409
- Datta, D.¹

61
- 0000360863
- (d) Pal, S.; Vaval, N.; Roy, R. K. J. Phys. Chem. 1993, 97, 4404.
- (1993) J. Phys. Chem. , vol.97 , pp. 4404
- Pal, S.¹ Vaval, N.² Roy, R.K.³

62
- 0347008399
- (a) Chattaraj, P. K.; Sengupta, S. J. Phys. Chem. 1996, 100. 16126.
- (1996) J. Phys. Chem. , vol.100 , pp. 16126
- Chattaraj, P.K.¹ Sengupta, S.²

63
- 0001340767
- (b) Ghanty, T. K.; Ghosh, S. K. J. Phys. Chem. 1993, 97. 4951
- (1993) J. Phys. Chem. , vol.97 , pp. 4951
- Ghanty, T.K.¹ Ghosh, S.K.²

64
- 0033966232
- (c) Chattaraj, P. K.; Fuentealba, P. Gomez, B.; Contreras, R. J. Am. Chem. Soc. 2000. 122, 348.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 348
- Chattaraj, P.K.¹ Fuentealba, P.² Gomez, B.³ Contreras, R.⁴

65
- 0000145040
- (a) Chattaraj, P. K.; Poddar, A. J. Phys. Chem. A 1999, 103, 1274.
- (1999) J. Phys. Chem. A , vol.103 , pp. 1274
- Chattaraj, P.K.¹ Poddar, A.²

66
- 0000286262
- (b) Chattaraj, P. K.; Poddar, A. J. Phys. Chem. A 1998. 102, 9944.
- (1998) J. Phys. Chem. A , vol.102 , pp. 9944
- Chattaraj, P.K.¹ Poddar, A.²

67
- 0000034969
- (c) Chattaraj, P. K.; Poddar, A. J. Phys. Chem. A 1999, 103, 8691.
- (1999) J. Phys. Chem. A , vol.103 , pp. 8691
- Chattaraj, P.K.¹ Poddar, A.²

68
- 33646957222
- (a) Sanderson, R. T. Science, 1955, 121, 207.
- (1955) Science , vol.121 , pp. 207
- Sanderson, R.T.¹

69
- 0038795357
- (b) Gutierrez-Oliva, S.; Jaque, P.; Toro-Labbe, A. J. Phys. Chem. A 2000, 104, 8955.
- (2000) J. Phys. Chem. A , vol.104 , pp. 8955
- Gutierrez-Oliva, S.¹ Jaque, P.² Toro-Labbe, A.³

70
- 0035960224
- Tishchenko, O.; Pham-Tran, N. N.; Kryachko, E. S.; Nguyen, M. T. J. Phys. Chem. A 2001, 105, 8709.
- (2001) J. Phys. Chem. A , vol.105 , pp. 8709
- Tishchenko, O.¹ Pham-Tran, N.N.² Kryachko, E.S.³ Nguyen, M.T.⁴

71
- 0001695784
- Roy, R. K.; Hirao, K.; Pal, S. J. Chem. Phys. 1999, 110, 8236.
- (1999) J. Chem. Phys. , vol.110 , pp. 8236
- Roy, R.K.¹ Hirao, K.² Pal, S.³

72
- 0034228318
- (b) Roy, R. K.; Hirao, K.; Pal, S. J. Chem. Phys. 2000, 113, 1372.
- (2000) J. Chem. Phys. , vol.113 , pp. 1372
- Roy, R.K.¹ Hirao, K.² Pal, S.³

73
- 0035880779
- (c) Roy, R. K.; Pal, S.; Hirao, K. J. Chem. Phys. 2001, 115, 2901.
- (2001) J. Chem. Phys. , vol.115 , pp. 2901
- Roy, R.K.¹ Pal, S.² Hirao, K.³

74
- 0000615330
- Fuentealba, R.; Perez, P.; Contreras, R. J. Chem. Phys. 2000. 113, 2540.
- (2000) J. Chem. Phys. , vol.113 , pp. 2540
- Fuentealba, R.¹ Perez, P.² Contreras, R.³

75
- 0034600348
- 2 and the proportionality constant K in this paper.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 4145
- Pal, S.¹ Chandrakumar, K.R.S.²

76
- 0037062601
- Chandrakumar, K. R. S.; Pal, S. Colloids Surf., A 2002, 205, 127.
- (2002) Colloids Surf., A , vol.205 , pp. 127
- Chandrakumar, K.R.S.¹ Pal, S.²

77
- 0012213194
- (b) Chandrakumar, K. R. S.; Pal, S. Int. J. Mol. Sci. 2002, 3, 324.
- (2002) Int. J. Mol. Sci. , vol.3 , pp. 324
- Chandrakumar, K.R.S.¹ Pal, S.²

78
- 0035942901
- Chandrakumar, K. R. S.; Pal, S. J. Phys. Chem. B 2001, 105, 4541.
- (2001) J. Phys. Chem. B , vol.105 , pp. 4541
- Chandrakumar, K.R.S.¹ Pal, S.²

79
- 0037071979
- (b) Chandrakumar, K. R. S.; Pal, S. J. Phys. Chem. A 2002, 106, 5737.
- (2002) J. Phys. Chem. A , vol.106 , pp. 5737
- Chandrakumar, K.R.S.¹ Pal, S.²

80
- 33751158484
- (a) Ghanty, T. K.; Ghosh, S. K. J. Phys. Chem. 1994, 98, 1840.
- (1994) J. Phys. Chem. , vol.98 , pp. 1840
- Ghanty, T.K.¹ Ghosh, S.K.²

81
- 33745017564
- (b) Ghanty, T. K.; Ghosh, S. K. J. Phys. Chem. 1996, 100, 17429.
- (1996) J. Phys. Chem. , vol.100 , pp. 17429
- Ghanty, T.K.¹ Ghosh, S.K.²

82
- 33751391846
- (c) Ghanty, T. K.; Ghosh, S. K. J. Inorg. Chem. 1992, 32, 1951.
- (1992) J. Inorg. Chem. , vol.32 , pp. 1951
- Ghanty, T.K.¹ Ghosh, S.K.²

83
- 37049083012
- (d) Ghanty, T. K.; Ghosh, S. K. Chem. Commun. 1992, 1502.
- (1992) Chem. Commun. , pp. 1502
- Ghanty, T.K.¹ Ghosh, S.K.²

84
- 0012169580
- Roy, R. K.; Chandra, A. K.; Pal, S. J. Phys. Chem. 1994, 98, 2314.
- (1994) J. Phys. Chem. , vol.98 , pp. 2314
- Roy, R.K.¹ Chandra, A.K.² Pal, S.³

85
- 0031553297
- (a) Gazquez, J. L. J. Phys. Chem. A 1997, 101, 9464.
- (1997) J. Phys. Chem. A , vol.101 , pp. 9464
- Gazquez, J.L.¹

86
- 0031271844
- (b) Gazquez, J. L. J. Phys. Chem. A 1997, 101, 8967.
- (1997) J. Phys. Chem. A , vol.101 , pp. 8967
- Gazquez, J.L.¹

87
- 0001548081
- (c) Mendez, F.; Tamaiz, J.; Geerlings, P. J. Phys. Chem. A 1998, 102, 6292.
- (1998) J. Phys. Chem. A , vol.102 , pp. 6292
- Mendez, F.¹ Tamaiz, J.² Geerlings, P.³

88
- 0000508405
- (d) Damoun, S.; Van de Woulde, G.; Choho, K.; Geerlings, P. J. Phys. Chem. A 1999, 103, 7861.
- (1999) J. Phys. Chem. A , vol.103 , pp. 7861
- Damoun, S.¹ Van De Woulde, G.² Choho, K.³ Geerlings, P.⁴

89
- 0033578894
- (e) Mendez, F.; Garcia-Garibay, M. A. J. Org. Chem. 1999, 64, 7061.
- (1999) J. Org. Chem. , vol.64 , pp. 7061
- Mendez, F.¹ Garcia-Garibay, M.A.²

90
- 0006442277
- Gazquez, J. L.; Martinez, A.; Mendez, F. J. Phys. Chem. 1993, 97, 4059.
- (1993) J. Phys. Chem. , vol.97 , pp. 4059
- Gazquez, J.L.¹ Martinez, A.² Mendez, F.³

91
- 0012210553
- (a) Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levine, R. D.; Mallard, W. G. J. Phys. Chem. Ref. Data 1988, 17, (Suppl 1).
- (1988) J. Phys. Chem. Ref. Data , vol.17 , Issue.SUPPL. 1
- Lias, S.G.¹ Bartmess, J.E.² Liebman, J.F.³ Holmes, J.L.⁴ Levine, R.D.⁵ Mallard, W.G.⁶

92
- 84989514941
- (b) Haaland, A. Angew. Chem., Int. Ed. Engl. 1989, 28, 992.
- (1989) Angew. Chem., Int. Ed. Engl. , vol.28 , pp. 992
- Haaland, A.¹

93
- 84983089459
- (c) Gal, J. G.; Maria, P. C. Prog. Phys. Org. Chem. 1990, 17, 159.
- (1990) Prog. Phys. Org. Chem. , vol.17 , pp. 159
- Gal, J.G.¹ Maria, P.C.²

94
- 0032517369
- (d) Ren, J.; Workman, D. B.; Squires, R. R. J. Am. Chem. Soc. 1998, 120, 10511.
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 10511
- Ren, J.¹ Workman, D.B.² Squires, R.R.³

95
- 0033597632
- Timoshkin, A. Y.; Suvoroy, A. V.; Bettinger, H. F.; Schaefer, H. F., III. J. Am. Chem. Soc. 1999, 121, 5687.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 5687
- Timoshkin, A.Y.¹ Suvoroy, A.V.² Bettinger, H.F.³ Schaefer H.F. III⁴

96
- 0002020062
- Leopold, K. R.; Canagarathna, M.; Phillips, J. A. Acc. Chem. Res. 1997, 30, 57.
- (1997) Acc. Chem. Res. , vol.30 , pp. 57
- Leopold, K.R.¹ Canagarathna, M.² Phillips, J.A.³

97
- 0000110457
- Mo, Y.; Gao, J.; Peyerimhoff, S. D. J. Chem. Phys. 2000, 112, 5530.
- (2000) J. Chem. Phys. , vol.112 , pp. 5530
- Mo, Y.¹ Gao, J.² Peyerimhoff, S.D.³

98
- 10644250257
- Hohenberg, P.; Kohn, W. Phys. Rev. B 1964, 136, 864.
- (1964) Phys. Rev. B , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

99
- 84893169025
- GAMESS. General Atomic and Molecular Electronic Structure System
- (Department of Chemistry, North Dakota State University and Ames Laboratory, Iowa State University)
- Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. (Department of Chemistry, North Dakota State University and Ames Laboratory, Iowa State University). GAMESS. General Atomic and Molecular Electronic Structure System. J. Comput. Chem. 1993, 14, 1347.
- (1993) J. Comput. Chem. , vol.14 , pp. 1347
- Schmidt, M.W.¹ Baldridge, K.K.² Boatz, J.A.³ Elbert, S.T.⁴ Gordon, M.S.⁵ Jensen, J.H.⁶ Koseki, S.⁷ Matsunga, N.⁸ Nguyen, K.A.⁹ Su, S.J.¹⁰ Windus, T.L.¹¹ Dupuis, M.¹² Montgomery, J.A.¹³

100
- 11644266970
- Mulliken, R. S. J. Chem. Phys. 1955, 23, 1833.
- (1955) J. Chem. Phys. , vol.23 , pp. 1833
- Mulliken, R.S.¹

101
- 33847089778
- (a) Morokuma, K. Acc. Chem. Res. 1977, 10, 294.
- (1977) Acc. Chem. Res. , vol.10 , pp. 294
- Morokuma, K.¹

102
- 0000510395
- (b) Umeyama, H.; Morokuma, K. J. Am. Chem. Soc. 1976, 98, 7208.
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 7208
- Umeyama, H.¹ Morokuma, K.²

103
- 8344254548
- Glendening, E. D.; Streitwieser, A. J. Chem. Phys. 1994, 100, 2900.
- (1994) J. Chem. Phys. , vol.100 , pp. 2900
- Glendening, E.D.¹ Streitwieser, A.²

104
- 0035132307
- Chattaraj, P. K. J. Phys. Chem. A 2001, 105, 511.
- (2001) J. Phys. Chem. A , vol.105 , pp. 511
- Chattaraj, P.K.¹

105
- 4243608603
- Theoretical studies on some aspects of the chemical reactivity using density based descriptors
- Ph.D. Thesis, Poona University
- Chandrakumar, K. R. S. Theoretical studies on some aspects of the chemical reactivity using density based descriptors. Ph.D. Thesis, Poona University, 2002.
- (2002)
- Chandrakumar, K.R.S.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.